1-butyl-2-methyl-3-phenylmethoxypyridin-4-one

C17H21NO2 — CID 14956287

IUPAC1-butyl-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCCCCn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C17H21NO2/c1-3-4-11-18-12-10-16(19)17(14(18)2)20-13-15-8-6-5-7-9-15/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyHAMSDWQXEVMRLP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.54
Rot. Bonds6

About 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one

1-butyl-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 14956287) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-butyl-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID14956287
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-butyl-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCCCCn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C17H21NO2/c1-3-4-11-18-12-10-16(19)17(14(18)2)20-13-15-8-6-5-7-9-15/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyHAMSDWQXEVMRLP-UHFFFAOYSA-N
XLogP3.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one (CID 14956287) is 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one is CCCCn1ccc(=O)c(OCc2ccccc2)c1C.
What is the InChIKey of 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is HAMSDWQXEVMRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-4-11-18-12-10-16(19)17(14(18)2)20-13-15-8-6-5-7-9-15/h5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one?
1-butyl-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 271.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 14956287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).